Calcium in PDB 3vi5: Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures

All present enzymatic activity of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures:
2.5.1.18; 5.3.99.2;

The structure of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures, PDB code: 3vi5 was solved by Y.Kado, T.Inoue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.86 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.277, 48.986, 91.919, 95.80, 90.99, 90.14
R / Rfree (%)	17.6 / 24.9

The binding sites of Calcium atom in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures (pdb code 3vi5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures, PDB code: 3vi5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca901 b:56.6 occ:1.00 O B:HOH584 2.2 28.4 1.0 O B:HOH426 2.5 39.1 1.0 O C:HOH619 2.5 31.3 1.0 O C:HOH690 2.6 44.5 1.0 OD2 C:ASP496 2.8 22.9 1.0 O C:HOH644 2.8 38.9 1.0 O B:HOH421 3.0 39.1 1.0 CG C:ASP496 3.8 17.9 1.0 OD2 B:ASP297 3.9 34.7 1.0 CB C:ASP496 4.1 15.0 1.0 OD2 C:ASP497 4.5 17.2 1.0 CD1 C:LEU465 4.6 17.0 1.0 OD2 B:ASP296 4.7 26.6 1.0 OD2 C:ASP493 4.7 20.9 1.0 OD1 C:ASP496 4.8 20.1 1.0 OD2 B:ASP293 4.8 22.8 1.0 CG B:ASP293 4.9 24.4 1.0

Calcium binding site 2 out of 2 in the Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca900 b:57.6 occ:1.00 O A:HOH640 2.1 18.9 1.0 O D:HOH278 2.5 29.9 1.0 OD2 D:ASP696 2.8 17.6 1.0 O D:HOH509 2.8 34.4 1.0 O A:HOH470 2.9 35.0 1.0 O A:HOH659 3.1 42.1 1.0 OD2 A:ASP97 3.7 32.9 1.0 CG D:ASP696 3.8 17.7 1.0 O A:HOH539 4.0 38.0 1.0 CB D:ASP696 4.2 15.6 1.0 CD1 D:LEU665 4.4 17.7 1.0 OD2 A:ASP93 4.7 16.0 1.0 OD2 D:ASP693 4.7 22.3 1.0 OD2 A:ASP96 4.8 25.0 1.0 CG A:ASP93 4.8 19.7 1.0 OD2 D:ASP697 4.8 16.3 1.0 O D:HOH412 4.9 35.6 1.0 OD1 A:ASP93 4.9 26.1 1.0 CG A:ASP97 4.9 31.6 1.0 OD1 D:ASP696 4.9 21.1 1.0

Y.Kado, K.Aritake, N.Uodome, Y.Okano, N.Okazaki, H.Matsumura, Y.Urade, T.Inoue. Human Hematopoietic Prostaglandin D Synthase Inhibitor Complex Structures J.Biochem. V. 151 447 2012.
ISSN: ISSN 0021-924X
PubMed: 22418579
DOI: 10.1093/JB/MVS024